| Properties | Image |
| MNX_ID | MNXM1125886 |
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| reference | chebi:163300 |
| formula | C12H22N4O6S |
| global charge | 0 |
| mol weight | 350.397 |
| InChIKey | AMRRYKHCILPAKD-FXQIFTODSA-N |
| InChI | InChI=1S/C12H22N4O6S/c1-23-3-2-7(15-10(19)6(13)5-17)11(20)16-8(12(21)22)4-9(14)18/h6-8,17H,2-5,13H2,1H3,(H2,14,18)(H,15,19)(H,16,20)(H,21,22)/t6-,7-,8-/m0/s1 |
| SMILES | CSCC[C@H](NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CC(N)=O)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C12H22N4O6S/c1-23-3-2-7(15-10(19)6(13)5-17)11(20)16-8(12(21)22)4-9(14)18/h6-8,17H,2-5,13H2,1H3,(H2,14,18)(H,15,19)(H,16,20)(H,21,22)/t6-,7-,8-/m0/s1 |
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| SMILES (mnx) | [CH3:1][S:23][CH2:3][CH2:2][C@@H:7]([C:11](=[N:16][C@@H:8]([CH2:4][C:9](=[NH:14])[OH:18])[C:12](=[O:21])[OH:22])[OH:20])[N:15]=[C:10]([C@H:6]([CH2:5][OH:17])[NH2:13])[OH:19] |
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